bis(2,3,4-trimethylphenyl)phosphinous acid

C18H23OP — CID 175402042

IUPACbis(2,3,4-trimethylphenyl)phosphinous acid
SMILESCc1ccc(P(O)c2ccc(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C18H23OP/c1-11-7-9-17(15(5)13(11)3)20(19)18-10-8-12(2)14(4)16(18)6/h7-10,19H,1-6H3
InChIKeyVGQQUGIBHJDOFN-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.88
Rot. Bonds2

About bis(2,3,4-trimethylphenyl)phosphinous acid

bis(2,3,4-trimethylphenyl)phosphinous acid (PubChem CID 175402042) has the molecular formula C18H23OP and a molecular weight of 286.36 g/mol. Its IUPAC name is bis(2,3,4-trimethylphenyl)phosphinous acid.

Molecular Properties

Compound Namebis(2,3,4-trimethylphenyl)phosphinous acid
PubChem CID175402042
Molecular FormulaC18H23OP
Molecular Weight286.36 g/mol
Exact Mass286.15
IUPAC Namebis(2,3,4-trimethylphenyl)phosphinous acid
SMILESCc1ccc(P(O)c2ccc(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C18H23OP/c1-11-7-9-17(15(5)13(11)3)20(19)18-10-8-12(2)14(4)16(18)6/h7-10,19H,1-6H3
InChIKeyVGQQUGIBHJDOFN-UHFFFAOYSA-N
XLogP3.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dimethyl-(2,3,4-trimethylphenyl)phosphane
CID 90111171
ruthenium;1,2,3,4-tetramethylbenzene
CID 158325243
phenyl-bis(2,3,4-trimethylphenyl)phosphane
CID 19817893
1-bis(2,3,4-trimethylphenyl)phosphanylpropyl-bis(2,3,4-trimethylphenyl)phosphane
CID 90110540
hexyl-propyl-(2,3,4-trimethylphenyl)phosphane
CID 90109576
[1-bis(2,3,4-trimethylphenyl)phosphanylcyclohexyl]-bis(2,3,4-trimethylphenyl)phosphane
CID 90109663
1-bis(2,3,4-trimethylphenyl)phosphanyloctyl-bis(2,3,4-trimethylphenyl)phosphane
CID 90110960
bis(5-tert-butyl-2-methylphenyl)phosphinous acid
CID 71196791
chromium(2+);bis(cyclopenta-1,3-dien-1-yl-bis(2,3,4-trimethylphenyl)phosphane)
CID 157416744
bis(2-ethenylphenyl)-(2,3,4-trimethylphenyl)phosphane
CID 151642542
1,2,3-trimethyl-4-prop-2-ynylbenzene
CID 91806221
1-(2,3,4-trimethylphenyl)propan-2-one
CID 71371849

Frequently Asked Questions

What is the IUPAC name of bis(2,3,4-trimethylphenyl)phosphinous acid?
The IUPAC name of bis(2,3,4-trimethylphenyl)phosphinous acid (CID 175402042) is bis(2,3,4-trimethylphenyl)phosphinous acid.
What is the SMILES notation for bis(2,3,4-trimethylphenyl)phosphinous acid?
The canonical SMILES for bis(2,3,4-trimethylphenyl)phosphinous acid is Cc1ccc(P(O)c2ccc(C)c(C)c2C)c(C)c1C.
What is the InChIKey of bis(2,3,4-trimethylphenyl)phosphinous acid?
The InChIKey is VGQQUGIBHJDOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23OP/c1-11-7-9-17(15(5)13(11)3)20(19)18-10-8-12(2)14(4)16(18)6/h7-10,19H,1-6H3.
What are the key properties of bis(2,3,4-trimethylphenyl)phosphinous acid?
bis(2,3,4-trimethylphenyl)phosphinous acid has a molecular weight of 286.36 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,4-trimethylphenyl)phosphinous acid is sourced from PubChem (CID 175402042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).